2-乙氧基四氢呋喃

2-乙氧基四氢呋喃 基本信息
CAS号 13436-46-9 分子式 C6H12O2
分子量 116.15800 精确质量  116.08400
PSA  18.46000 LogP  1.15940

基本信息 展开↓

CAS号:
13436-46-9
3D弹球模型:
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分子式:
C6H12O2
分子量:
116.15800
中文名称:
2-乙氧基四氢呋喃
英文名称:
2-ethoxyoxolane
中文别名:
2-乙氧基四氢呋喃;
2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, barium salt (1:1);
barium 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate;
2,5-Dichloro-3,6-dihydroxy-p-benzoquinone barium salt;
1-butyl-2-methyl-imidazole;
Diethyl 2-Aminomalonate HCl;
Propanedioic acid, amino-, diethyl ester, hydrochloride;
diethyl aminopropanedioate;
diethyl aminopropanedioate hydrochloride;
1,3-diethoxy-1,3-dioxopropan-2-aminium;
Diethylacetamidomalonate hydrochloride;
Diethyl aminomalonate hydrochloride;
Ducobee Hy;
Hydrocobalamin;
Hydrovit;
Hydroxy vitamin B12;
Hyxobamine;
Neo-Betalin 12;
Neo-Cytamen;
Neo-Rojamin;
OH-Duphar;
Primabalt RP;
Redisol H;
Vibeden;
Vitadurin;
Vitamin B12a;
Hydroxocobalamin Vitamin B12;
Hydroxycobalamin;
Hydroxocobalamin;
copper(2+) 8-hydroxyoctahydro-2H-quinolin-1-ide 8-hydroxy-2H-quinolin-1-ide (1:1:1);
quinolin-8-ol - copper (2:1);
copper(2+) diquinolin-8-olate;
copper(2+) bis(8-hydroxyquinoline-2-carboxylate);
8-Quinolate;
8-hydroxyquinoline, copper(ii) salt
英文别名:
2-ethoxyoxolane;
Furan,2-ethoxytetrahydro;
2-ethoxy-tetrahydro-furan;
EINECS 236-569-9;
2-Aethoxy-tetrahydro-furan;
2-ethoxytrihydrofuran
精确分子量/精确质量:
116.08400
极性分子表面积/PSA:
18.46000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00005360
EINECS:
236-569-9
PubChem:
24852603
InChI:
InChI=1/C4H8O2/c5-4-2-1-3-6-4/h4-5H,1-3H2

物化性质展开↓

密度:
0.94g/cm3
沸点:
171ºC at 760mmHg
闪点:
16.1ºC
折射率:
n20/D 1.414(lit.)
蒸汽压:
0.697mmHg at 25°C
其它信息:

1.性状:不可用

2.密度(g/mL,25/4): 0.908

3.相对蒸汽密度(g/mL,空气=1)不可用

4.熔点(ºC):不可用

5.沸点(ºC,常压):170-172

6.沸点(ºC,5.2kPa): 不可用

7.折射率: 1.414

8.闪点(ºC): 不可用

9.比旋光度(º): 不可用

10.自燃点或引燃温度(ºC): 不可用

11.蒸气压(kPa,25ºC): 不可用

12.饱和蒸气压(kPa,60ºC): 不可用

13.燃烧热(KJ/mol):不可用

14.临界温度(ºC): 不可用

15.临界压力(KPa): 不可用

16.油水(辛醇/水)分配系数的对数值:不可用 

17.爆炸上限(%,V/V):不可用

18.爆炸下限(%,V/V): 不可用

19.溶解性:不可用

安全信息展开↓

包装等级:
II
风险类别:
3.1
海关代码:
2932190090
危险类别码:
R11
安全说明:
16-29-33
安全标志:
S16:远离火源。
S29:不要将残余物倾入排水口。
S33:采取防护措施防止静电发生。
危险标志:
F: Flammable;

合成路线查看所有的合成路线

  • 64-17-5

    乙醇

  • +

  • 25714-71-0

    4-hydroxybutanal

  • ~94%

  • 13436-46-9

    2-乙氧基四氢呋喃

  • 109-99-9

    四氢呋喃

  • +

  • 64-17-5

    乙醇

  • ~61%

  • 13436-46-9

    2-乙氧基四氢呋喃

  • 1191-99-7

    2,3-二氢呋喃

  • +

  • 64-17-5

    乙醇

  • ~40%

  • 13436-46-9

    2-乙氧基四氢呋喃

化学图谱

  1. 2-乙氧基四氢呋喃红外图谱(IR1)

  2. 2-乙氧基四氢呋喃质谱(MS)

  3. 2-乙氧基四氢呋喃核磁图(13CNMR)

  4. 2-乙氧基四氢呋喃核磁图(1HNMR)

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毒理性展开↓

毒理学数据:

急性毒性:不可用 。

生态数据:

1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : 2-Ethoxytetrahydrofuran    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 13436-46-9    
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Flammable liquids (Category 2), H225
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    F Highly flammable        R11    
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    Highly flammable liquid and vapour.
    Precautionary statement(s)
    Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Formula        : C6H12O2    
    Molecular Weight        : 116,16 g/mol    
    CAS-No.        : 13436-46-9    
    EC-No.        : 236-569-9    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  2-Hydroxytetrahydrofuran
    CAS-No.        13436-46-9        Flam. Liq. 2; H225        <= 100 %    
    EC-No.        236-569-9    
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
    water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    no data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
    fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
    spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
    water.
  Special hazards arising from the substance or mixture
    Carbon oxides
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    Use water spray to cool unopened containers.

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Remove all sources of ignition.
    Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations.
    Vapours can accumulate in low areas.
    For personal protection see section 8.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
    place in container for disposal according to local regulations (see section 13).
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Avoid inhalation of vapour or mist.
    Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
    charge.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
  Specific end use(s)
    A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under
    appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    impervious clothing, Flame retardant antistatic protective clothing, The type of protective
    equipment must be selected according to the concentration and amount of the dangerous
    substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
    with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
    to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
    respirator. Use respirators and components tested and approved under appropriate government
    standards such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and 170 - 172 °C - lit.
    boiling range
    g) Flash point        16 °C - closed cup    
    h) Evapouration rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        0,908 g/cm3 at 25 °C    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

SECTION 10: Stability and reactivity
  Reactivity
    no data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Heat, flames and sparks. Extremes of temperature and direct sunlight.
  Incompatible materials
    Oxidizing agents, Strong acids
  Hazardous decomposition products
    Other decomposition products - no data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitisation
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Additional Information
    RTECS: Not available
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
    as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
    company. Contact a licensed professional waste disposal service to dispose of this material.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: 1993        IMDG: 1993        IATA: 1993    
  UN proper shipping name
    ADR/RID: FLAMMABLE LIQUID, N.O.S. (2-Hydroxytetrahydrofuran)
    IMDG: FLAMMABLE LIQUID, N.O.S. (2-Hydroxytetrahydrofuran)
    IATA:        Flammable liquid, n.o.s. (2-Hydroxytetrahydrofuran)    
  Transport hazard class(es)
    ADR/RID: 3        IMDG: 3        IATA: 3    
  Packaging group
    ADR/RID: II        IMDG: II        IATA: II    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2932190090

概述:
2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据


            摩尔折射率:31.23

2、                           摩尔体积(m3/mol):122.2

3、                           等张比容(90.2K):279.3

4、                           表面张力(dyne/cm):27.2

5、                           极化率10-24cm3):12.38

计算化学数据


1.疏水参数计算参考值(XlogP):0.9

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积18.5

7.重原子数量:8

8.表面电荷:0

9.复杂度:63.5

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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